3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

C22H30N6O — CID 69090444

IUPAC3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H30N6O/c23-16-7-4-12-28(14-16)20-10-11-25-13-19(20)27-22(29)21-17(24)8-9-18(26-21)15-5-2-1-3-6-15/h8-11,13,15-16H,1-7,12,14,23-24H2,(H,27,29)/t16-/m0/s1
InChIKeyUOMHIBLQLFRGHE-INIZCTEOSA-N
MW394.52 g/mol
LogP3.29
Rot. Bonds4

About 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (PubChem CID 69090444) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
PubChem CID69090444
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
SMILESNc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H30N6O/c23-16-7-4-12-28(14-16)20-10-11-25-13-19(20)27-22(29)21-17(24)8-9-18(26-21)15-5-2-1-3-6-15/h8-11,13,15-16H,1-7,12,14,23-24H2,(H,27,29)/t16-/m0/s1
InChIKeyUOMHIBLQLFRGHE-INIZCTEOSA-N
XLogP3.29
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44814409
CID 44814409
CID 155586901
CID 155586901
CID 46179018
CID 46179018
CID 59226518
CID 59226518
CID 68161871
CID 68161871
CID 58548318
CID 58548318
CID 138377600
CID 138377600
CID 91937649
CID 91937649
CID 24894053
CID 24894053
CID 46179491
CID 46179491
CID 59226389
CID 59226389
CID 68161034
CID 68161034

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide (CID 69090444) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
The InChIKey is UOMHIBLQLFRGHE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N6O/c23-16-7-4-12-28(14-16)20-10-11-25-13-19(20)27-22(29)21-17(24)8-9-18(26-21)15-5-2-1-3-6-15/h8-11,13,15-16H,1-7,12,14,23-24H2,(H,27,29)/t16-/m0/s1.
What are the key properties of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide?
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 69090444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).